Match comparison for Energy [step 0] (match type 29345)
Commits >
Commit f1dbe11076ccb3bb542605fe66566061d8720041 >
Input 24-adsic_freeze_orbitals.02-td.inp
General information
| Reference | Precision | Mean | Standard deviation | Midpoint | Half width | Status |
| -2.002259026478495e+00 | 1.000000000000000e-04 | -2.002259026478496e+00 | 4.465407938772109e-15 | -2.002259026478495e+00 | 1.043609643147647e-14 | PASS |
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Detailed information
Reference: -2.002259026478495, precision: 0.0001| Run | Value | Difference | Relative difference | Status |
| spack_foss-2022a_ppc | -2.002259026478496e+00 | -1.332267629550188e-15 | -1.332267629550188e-11 | PASS |
| cmake_foss_2022a_full_serial | -2.002259026478494e+00 | 8.881784197001252e-16 | 8.881784197001252e-12 | PASS |
| cmake_foss_2022a_min_serial | -2.002259026478494e+00 | 8.881784197001252e-16 | 8.881784197001252e-12 | PASS |
| spack_foss-2022a_cuda_mpi_omp | -2.002259026478499e+00 | -3.996802888650564e-15 | -3.996802888650564e-11 | PASS |
| cmake_foss_2022a_min_mpi | -2.002259026478496e+00 | -8.881784197001252e-16 | -8.881784197001252e-12 | PASS |
| cmake_foss_2022a_full_mpi | -2.002259026478492e+00 | 3.108624468950438e-15 | 3.108624468950438e-11 | PASS |
| spack_foss-2022a_serial_min | -2.002259026478497e+00 | -1.776356839400250e-15 | -1.776356839400250e-11 | PASS |
| spack_foss-2022a_serial | -2.002259026478497e+00 | -1.776356839400250e-15 | -1.776356839400250e-11 | PASS |
| spack_foss-2022a_mpi_min | -2.002259026478491e+00 | 3.552713678800501e-15 | 3.552713678800501e-11 | PASS |
| spack_foss-2022a_mpi | -2.002259026478491e+00 | 3.552713678800501e-15 | 3.552713678800501e-11 | PASS |
| spack_foss-2023a_mpi | -2.002259026478491e+00 | 3.552713678800501e-15 | 3.552713678800501e-11 | PASS |
| spack_foss-2023a_mpi_min | -2.002259026478491e+00 | 3.552713678800501e-15 | 3.552713678800501e-11 | PASS |
| spack_foss-2023a_mpi_debug | -2.002259026478491e+00 | 3.552713678800501e-15 | 3.552713678800501e-11 | PASS |
| spack_foss-2023a_serial | -2.002259026478497e+00 | -1.776356839400250e-15 | -1.776356839400250e-11 | PASS |
| spack_foss-2023a_serial_min | -2.002259026478497e+00 | -1.776356839400250e-15 | -1.776356839400250e-11 | PASS |
| spack_foss-2022a_cuda_serial | -2.002259026478500e+00 | -4.884981308350689e-15 | -4.884981308350689e-11 | PASS |
| spack_foss-2023a_mpi_opt | -2.002259026478492e+00 | 3.108624468950438e-15 | 3.108624468950438e-11 | PASS |
| spack_foss-2023a_serial_debug | -2.002259026478497e+00 | -1.776356839400250e-15 | -1.776356839400250e-11 | PASS |
| spack_foss-2023a_serial_opt | -2.002259026478494e+00 | 8.881784197001252e-16 | 8.881784197001252e-12 | PASS |
| spack_foss-2023b_serial | -2.002259026478497e+00 | -1.776356839400250e-15 | -1.776356839400250e-11 | PASS |
| spack_foss-2023a_serial_omp | -2.002259026478494e+00 | 1.332267629550188e-15 | 1.332267629550188e-11 | PASS |
| spack_foss-2023a_mpi_omp | -2.002259026478497e+00 | -2.220446049250313e-15 | -2.220446049250313e-11 | PASS |
| spack_intel-2023a_serial | -2.002259026478497e+00 | -1.776356839400250e-15 | -1.776356839400250e-11 | PASS |
| spack_intel-2022a_serial_omp | -2.002259026478506e+00 | -1.065814103640150e-14 | -1.065814103640150e-10 | PASS |
| spack_intel-2023a_serial_omp | -2.002259026478504e+00 | -9.325873406851315e-15 | -9.325873406851315e-11 | PASS |
| spack_intel-2023a_impi | -2.002259026478502e+00 | -6.661338147750939e-15 | -6.661338147750939e-11 | PASS |
| spack_intel-2022a_impi_omp | -2.002259026478503e+00 | -8.437694987151190e-15 | -8.437694987151190e-11 | PASS |
| spack_foss-2023a_valgrind | -2.002259026478485e+00 | 1.021405182655144e-14 | 1.021405182655144e-10 | PASS |